E-mail: czhou1989@xmu.edu.cn

Address:

Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China

Education and Research Experience:

Bachelor of Science, Xiamen University (June 2012);

Doctor of Science, Xiamen University (June 2018);

Visiting Scholar, Department of Chemistry, University of Minnesota, USA (September 2018 - August 2021)

Principal Research Interests:
Electronic structure theory;

Strongly correlated systems;

Valence bond theory;

Multiconfiguration density functional theory.

Selected Recent Publications:

1. Zhou, C.; Wu, D.; Gagliardi, L.; Truhlar, D. G., Calculation of the Zeeman Effect for Transition-Metal Complexes by Multiconfiguration Pair-Density Functional Theory. J. Chem. Theory Comput. 2021, 17 (8), 5050-5063.

2. Bao, J. J.; Zhou, C.; Varga, Z.; Kanchanakungwankul, S.; Gagliardi, L.; Truhlar, D. G., Multi-state Pair-density Functional Theory. Faraday Discuss. 2020, 224, 348-372.

3. Zhou, C.; Gagliardi, L.; Truhlar, D. G., State-interaction Pair Density Functional Theory for Locally Avoided Crossings of Potential Energy Surfaces in Methylamine. Phys. Chem. Chem. Phys. 2019, 21, 13486-13493.

4. Zhou, C.; Gagliardi, L.; Truhlar, D. G., Multiconfiguration Pair-Density Functional Theory for Iron Porphyrin with CAS, RAS, and DMRG Active Spaces. J. Phys. Chem. A 2019, 123, 3389-3394.

5. Zhou, C.; Zeng, C.; Ma, B.; Ying, F.; Chen, Z.; Wu, W., Novel Implementation of Seniority Number Truncated Valence Bond Methods with Applications to H₂₂ Chain. J. Chem. Phys. 2019, 151, 194107.

6. Zhou, C.; Chen, Z.; Wu, W., Reciprocal Transformation of Seniority Number Restricted Wave Function. J. Chem. Phys. 2018, 149, 044111.

7. Zhou, C.; Zhang, Y.; Gong, X.; Ying, F.; Su, P.; Wu, W., Hamiltonian Matrix Correction Based Density Functional Valence Bond Method. J. Chem. Theory Comput. 2017, 13, 627-634.

8. Zhou, C.; Chen, Z.; Wu, W., A Comparative Study on Seniority-based MO and VB Calculations of the Singlet and Triplet Energy Gaps of Open-shell Molecules. Comput. Theor. Chem. 2017, 1116 (Supplement C), 86-91.

9. Bao, J. J.; Zhou, C.; Truhlar, D. G., Compressed-State Multistate Pair-Density Functional Theory. J. Chem. Theory Comput. 2020, 16, 7444-7452.

10. Ying, F.; Zhou, C.; Zheng, P.; Luan, J.; Su, P.; Wu, W., λ-Density Functional Valence Bond: A Valence Bond-Based Multiconfigurational Density Functional Theory With a Single Variable Hybrid Parameter. Front. Chem. 2019, 7 (225).

11. Chen, Z.; Zhou, C.; Wu, W., Seniority Number in Valence Bond Theory. J. Chem. Theory Comput. 2015, 11, 4102-4108.